N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide

C18H25F3N2O2 — CID 141030215

IUPACN'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide
SMILESCC(C)(C)C1CCC(NNC(=O)c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O2/c1-17(2,3)12-8-10-13(11-9-12)22-23-16(24)14-6-4-5-7-15(14)25-18(19,20)21/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,24)
InChIKeyNSSQORMJOMRFEH-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.42
Rot. Bonds4

About N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide

N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide (PubChem CID 141030215) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide
PubChem CID141030215
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC NameN'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide
SMILESCC(C)(C)C1CCC(NNC(=O)c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O2/c1-17(2,3)12-8-10-13(11-9-12)22-23-16(24)14-6-4-5-7-15(14)25-18(19,20)21/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,24)
InChIKeyNSSQORMJOMRFEH-UHFFFAOYSA-N
XLogP4.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N'-[2-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2744785
N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
N-[(2S,3R)-2-methyloxolan-3-yl]-2-(trifluoromethoxy)benzamide
CID 97333881
N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide
CID 164554378
2-cyclopentyl-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 114970289
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 172646299
N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide;hydrochloride
CID 68847131
[[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate
CID 141176315
2-(trifluoromethoxy)benzoate
CID 6933714
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide
CID 69470093
2-(cyclopentylamino)-2-[2-(trifluoromethoxy)phenyl]acetic acid
CID 60997656
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide?
The IUPAC name of N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide (CID 141030215) is N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide.
What is the SMILES notation for N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide?
The canonical SMILES for N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide is CC(C)(C)C1CCC(NNC(=O)c2ccccc2OC(F)(F)F)CC1.
What is the InChIKey of N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide?
The InChIKey is NSSQORMJOMRFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-17(2,3)12-8-10-13(11-9-12)22-23-16(24)14-6-4-5-7-15(14)25-18(19,20)21/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,24).
What are the key properties of N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide?
N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide has a molecular weight of 358.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide is sourced from PubChem (CID 141030215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).